Water

Water

SCHEMBL5523

O.On1nnc2ccccc21

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.95
MAPK1 P28482 1/20 0.95
ATM Q13315 1/20 0.95
DGAT1 O75907 1/20 0.59
SLC9A1 P19634 6/20 0.54
KEAP1 Q14145 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
THPO P40225 1/20 0.54
CYP4Z1 Q86W10 1/20 0.54
KCNMA1 Q12791 3/20 0.48
MGAM O43451 2/20 0.47
AMY1A P0DUB6 2/20 0.47
GAA P10253 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL28811644 1.00 POLB (0.95) POLBMAPK1ATMDGAT1SLC9A1
Water SCHEMBL12099335 1.00 POLB (0.95) POLBMAPK1ATMDGAT1SLC9A1
Water SCHEMBL29396172 1.00 POLB (0.95) POLBMAPK1ATMDGAT1SLC9A1
Water SCHEMBL134510 1.00 POLB (0.95) POLBMAPK1ATMDGAT1SLC9A1
Water SCHEMBL1915155 1.00 POLB (0.95) POLBMAPK1ATMDGAT1SLC9A1
Hydrochloric Acid SCHEMBL17967108 0.98 POLB (0.91) POLBMAPK1ATMDGAT1SLC9A1
Water SCHEMBL27491397 0.98 POLB (0.91) POLBMAPK1ATMDGAT1SLC9A1
Water SCHEMBL16962408 0.98 POLB (0.91) POLBMAPK1ATMDGAT1SLC9A1
Ammonia Solution, Strong SCHEMBL16319213 0.98 POLB (0.91) POLBMAPK1ATMDGAT1SLC9A1
SCHEMBL3672275 0.98 POLB (1.00) POLBMAPK1ATMDGAT1SLC9A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 34581 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026104593-A1 FRAGMENT BASED SYNTHESIS OF PEPTIDES SUCH AS LL37 NEUROINNOVATECH APS (DK) 2026-05-21 WO claimed
US-12550694-B2 Selective deposition for integrated circuit interconnect structures TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) 2026-02-10 US claimed
US-20250340518-A1 PROCESS FOR PREPARATION OF SELUMETINIB AND SALTS THEREOF GLENMARK LIFE SCIENCES LTD (IN) 2025-11-06 US claimed
EP-4448107-B1 DRUG DELIVERY SYSTEMS BASED ON ENDOPEROXIDES USEFUL IN DIAGNOSIS AND THERAPY, AND METHODS THEREOF FACULDADE DE FARMACIA DA UNIV DE LISBOA (PT) 2025-11-05 EP claimed
US-20250250281-A1 PROCESS FOR PREPARATION OF RELUGOLIX ALIVUS LIFE SCIENCES LIMITED (IN) 2025-08-07 US claimed
US-20250242576-A1 HIGH-BARRIER INFLATABLE CUSHION AND PREPARATION PROCESS THEREFOR Guangzhou Yuanqi Dynamic Technology Co., LTD (CN) 2025-07-31 US claimed
CN-120192356-A Prazomib preparation process of milnacipse 上海上药新亚药业有限公司 2025-06-24 CN claimed
CN-115873270-B Cell-mediated degradation independently controllable gelatin-multi-arm polyethylene glycol hydrogel system and preparation method thereof 西安交通大学 2025-06-17 CN claimed
CN-120059439-A Acylhydrazone bond hydrogel capable of regulating and controlling viscoelasticity as well as preparation method and application thereof 西安交通大学 2025-05-30 CN claimed
CN-119978777-A Modified 6-chloro-1H-pyrazolo [4,3-C ] pyridine-alcohol-containing material and preparation method thereof 苏州求索生物科技有限公司 2025-05-13 CN claimed
EP-0346655-B1 AN IMPROVED METHOD FOR PREPARING POLYMER SURFACES FOR SUBSEQUENT PLATING THEREON, AND IMPROVED METAL-PLATED PLASTIC ARTICLES MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 1993-08-18 EP claimed
WO-1992020349-A1 WATER INSOLUBLE DERIVATIVES OF POLYANIONIC POLYSACCHARIDES GENZYME CORPORATION (US) 1992-11-26 WO claimed
EP-0497053-A1 Improved dry silver constructions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-08-05 EP claimed
US-5015555-A Adhesion, flexibility E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-14 US claimed
EP-0170414-B1 PROCESS FOR TREATING METAL SURFACE Hitachi Chemical Co., Ltd. (JP) 1991-04-17 EP claimed
US-4983567-A Immunomodulators and methods of making same BIOMEASURE, INC. (US) 1991-01-08 US claimed
EP-0346655-A1 An improved method for preparing polymer surfaces for subsequent plating thereon, and improved metal-plated plastic articles made therefrom GENERAL ELECTRIC COMPANY (US) 1989-12-20 EP claimed
EP-0295833-A1 Aromatic-Spiropiperidine oxazepinones (and thiones) A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-12-21 EP claimed
US-4643793-A WITH MIXTURE OF COPPER COMPOUND, COMPLEXING AGENT, REDUCING AGENT, AND PH ADJUSTER IN PRESENCE OF NITROGEN HETEROCYCLE COMPOUND HITACHI CHEMICAL COMPANY, LTD. (JP) 1987-02-17 US claimed
EP-0170414-A2 Process for treating metal surface Hitachi Chemical Co., Ltd. (JP) 1986-02-05 EP claimed